1PCS

THE 2.15 A CRYSTAL STRUCTURE OF A TRIPLE MUTANT PLASTOCYANIN FROM THE CYANOBACTERIUM SYNECHOCYSTIS SP. PCC 6803

Experimental procedure

Source details	ENRAF-NONIUS
Temperature [K]	295
Detector technology	IMAGE PLATE
Collection date	1996-04
Detector	MARRESEARCH
Spacegroup name	P 32 2 1
Unit cell lengths	34.300, 34.300, 111.800
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	8.000 - 2.150
R-factor	0.167
Rwork	0.167
R-free	0.22000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1PCY
RMSD bond length	0.013
RMSD bond angle	27.080 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((ROTAVATA))
Phasing software	AMoRE
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.300	2.250
High resolution limit [Å]	2.150	2.150
Rmerge	0.065 *	0.074 *
Total number of observations	26699 *
Number of reflections	4422
<I/σ(I)>	8	8.2
Completeness [%]	92.7	98
Redundancy	5.5	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6		PROTEIN WAS CRYSTALLIZED FROM 3.2M AMMONIUM SULFATE, 0.1M NA,K.PHOSPHATE, PH 6.0 WITH A PROTEIN CONCENTRATION OF 10 MG/ML

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	Tris-HCl	50 (mM)
3	1	reservoir	ammonium sulfate	3.2 (M)
4	1	reservoir	sodium, potassium phosphate	0.1 (M)